chempirical

2-Amino-4-chlorobenzonitrile

C7H5ClN2CAS 38487-86-4152.58 g/mol

Open in Covalent MOL file
NClH2N
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
Melting point
161 °C
logP
1.79Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
38487-86-4
SMILES
N#Cc1ccc(Cl)cc1N
InChIKey
UZHALXIAWJOLLR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzonitrile, 2-amino-4-chloro-
  • Anthranilonitrile, 4-chloro-
  • 5-Chloro-2-cyanoaniline
  • 4-Chloroanthranilonitrile
  • 4-Chloro-2-aminobenzonitrile

Work with 2-Amino-4-chlorobenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5-chlorobenzonitrile5922-60-172 % similar 2,4-Dichlorobenzonitrile6574-98-760 % similar 2-Amino-4-methylbenzonitrile26830-96-656 % similar 4-Chloro-2-methylbenzonitrile50712-68-056 % similar 2-Bromo-4-chlorobenzonitrile57381-49-456 % similar 4-Chloro-2-fluorobenzonitrile57381-51-856 % similar 2,5-Dichlorobenzonitrile21663-61-655 % similar 4-Chloro-1,2-phenylenediamine95-83-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-B]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 3-Chloroindazole29110-74-5 7-Chloro-1H-pyrrolo[2,3-C]pyridine357263-41-3

Elsewhere

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